Molecule Details
| InChIKey | OYNFRQIQIBKTHH-XAZDILKDSA-N |
|---|---|
| Compound Name | Urea, N-(5-((4R,5S,6S,7R)-hexahydro-5,6-dihydroxy-3-(5-(((methylamino)carbonyl)amino)pentyl)-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepin-1-yl)pentyl)-N'-methyl- |
| Canonical SMILES | CNC(=O)NCCCCCN1C(=O)N(CCCCCNC(=O)NC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.57 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03367 | gag-pol | Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI) | Pathogen | PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 | 6.6 | Ki | BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 6.6 | Ki | ChEMBL |